SCHEMBL7396333

SCHEMBL7396333

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CF)N(CC(=O)O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.35
SCN9A Q15858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7339770 0.81 F2 (0.43) GAAF2F10PRSS1KMT2A
SCHEMBL7339777 0.81 F2 (0.43) GAAF2F10PRSS1KMT2A
SCHEMBL10907376 0.80 F2 (0.40) GAAF2F10PRSS1NFKB1
SCHEMBL10907374 0.80 F2 (0.40) GAAF2F10PRSS1NFKB1
SCHEMBL7347648 0.80 F2 (0.42) GAAF2F10PRSS1KMT2A
SCHEMBL8837660 0.80 ACE (0.48) GAAF2F10PRSS1KMT2A
SCHEMBL8837664 0.80 ACE (0.48) GAAF2F10PRSS1KMT2A
SCHEMBL8837673 0.80 ACE (0.48) GAAF2F10PRSS1KMT2A
SCHEMBL7350194 0.79 F2 (0.42) GAAF2F10PRSS1KMT2A
SCHEMBL7350200 0.79 F2 (0.42) GAAF2F10PRSS1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000055156-A1 SUBSTITUTED AROMATIC AMIDINE DERIVATIVE AND MEDICINAL COMPOSITION COMPRISING THE SAME C & C RESEARCH LABORATORIES (KR) 2000-09-21 WO disclosed